SCHEMBL9818757

SCHEMBL9818757

CCOC(=O)CC1(O)CC(C)(C)Oc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 5/20 0.74
MAPT P10636 5/20 0.43
GLO1 Q04760 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 6/20 0.39
GAA P10253 3/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9818913 0.85 AKR1B1 (1.00) AKR1B1KMT2A
SCHEMBL9819088 0.83 AKR1B1 (0.72) AKR1B1MAPTKDM4EALDH1A1GAA
SCHEMBL10487778 0.81 AKR1B1 (0.75) AKR1B1
SCHEMBL9818775 0.78 AKR1B1 (0.71) AKR1B1KDM4EALDH1A1GAAHPGD
SCHEMBL21750776 0.73 AKR1B1 (0.62) AKR1B1MAPTALDH1A1KMT2ARAB9A
SCHEMBL9818883 0.72 AKR1B1 (0.72) AKR1B1MAPTKDM4EALDH1A1GAA
SCHEMBL27313536 0.72 SMN1; SMN2 (0.44) AKR1B1MAPTKDM4EALDH1A1GAA
SCHEMBL11105548 0.71 MAPT (0.43) AKR1B1MAPTGLO1KDM4EALDH1A1
SCHEMBL11108081 0.71 MAPT (0.43) AKR1B1MAPTGLO1KDM4EALDH1A1
SCHEMBL27780980 0.70 ALDH1A1 (0.47) AKR1B1MAPTGLO1KDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0230379-B1 CHROMAN- AND THIOCHROMAN-4-ACETIC ACIDS USEFUL IN THE TREATMENT OF DIABETIC COMPLICATIONS PFIZER INC. (US) 1991-04-03 EP disclosed
US-4853410-A Hydroxyacetic acid derivatives for the treatment of diabetic complications PFIZER INC. (US) 1989-08-01 US disclosed
WO-1987004344-A1 HYDROXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETIC COMPLICATIONS PFIZER INC. (US) 1987-07-30 WO disclosed
EP-0230379-A2 Chroman- and thiochroman-4-acetic acids useful in the treatment of diabetic complications PFIZER INC. (US) 1987-07-29 EP disclosed